ethyl 4-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[(2-amino-4-bromo-phenyl)sulfanylmethyl]thiazole-2-carboxylate CAS Name: 4-[[(2-amino-4-bromophenyl)thio]methyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-4-bromophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[[(2-amino-4-bromo-phenyl)thio]methyl]thiazole-2-carboxylic acid ethyl ester Formula: C13H13BrN2O2S2 MolecularWeight: 373.28852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CSC2=C(C=C(C=C2)Br)N

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CSC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C13H13BrN2O2S2/c1-2-18-13(17)12-16-9(7-20-12)6-19-11-4-3-8(14)5-10(11)15/h3-5,7H,2,6,15H2,1H3